UCSF

ZINC36612632

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2009 35 No

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.53 12.08 -48.65 1 7 1 85 495.552 8
Mid Mid (pH 6-8) 4.53 9.61 -18.26 0 7 0 84 494.544 8

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )